2-[[5-(N-anthracen-9-ylanilino)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-2-[(2Z)-2-[[5-(4-chloro-N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;3-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile;4-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile

C143H85ClN8O7Se4 — CID 158954531

About 2-[[5-(N-anthracen-9-ylanilino)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-2-[(2Z)-2-[[5-(4-chloro-N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;3-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile;4-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile

2-[[5-(N-anthracen-9-ylanilino)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-2-[(2Z)-2-[[5-(4-chloro-N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;3-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile;4-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile (PubChem CID 158954531) has the molecular formula C143H85ClN8O7Se4 and a molecular weight of 2378.59 g/mol. Its IUPAC name is 2-[[5-(N-anthracen-9-ylanilino)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-2-[(2Z)-2-[[5-(4-chloro-N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;3-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile;4-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile.

Molecular Properties

• Compound Name: 2-[[5-(N-anthracen-9-ylanilino)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-2-[(2Z)-2-[[5-(4-chloro-N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;3-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile;4-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile
• PubChem CID: 158954531
• Molecular Formula: C143H85ClN8O7Se4
• Molecular Weight: 2378.59 g/mol
• Exact Mass: 2380.29
• IUPAC Name: 2-[[5-(N-anthracen-9-ylanilino)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-2-[(2Z)-2-[[5-(4-chloro-N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;3-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile;4-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile
• SMILES: Cc1cccc2c(N(c3ccc(C#N)cc3)c3ccc(C=C4C(=O)c5cc6ccccc6cc5C4=O)[se]3)cccc12.Cc1cccc2c(N(c3cccc(C#N)c3)c3ccc(C=C4C(=O)c5cc6ccccc6cc5C4=O)[se]3)cccc12.O=C1C(=Cc2ccc(N(c3ccccc3)c3c4ccccc4cc4ccccc34)[se]2)C(=O)c2cc3ccccc3cc21.[C-]#[N+]/C(C#N)=C1C(=C\c2ccc(N(c3ccc(Cl)cc3)c3cccc4ccccc34)[se]2)\C(=O)c2ccccc2\1
• InChI: InChI=1S/C38H23NO2Se.2C36H22N2O2Se.C33H18ClN3OSe/c40-37-32-21-24-10-4-5-11-25(24)22-33(32)38(41)34(37)23-29-18-19-35(42-29)39(28-14-2-1-3-15-28)36-30-16-8-6-12-26(30)20-27-13-7-9-17-31(27)36;1-22-7-4-13-29-28(22)12-6-14-33(29)38(26-11-5-8-23(17-26)21-37)34-16-15-27(41-34)20-32-35(39)30-18-24-9-2-3-10-25(24)19-31(30)36(32)40;1-22-6-4-10-29-28(22)9-5-11-33(29)38(26-14-12-23(21-37)13-15-26)34-17-16-27(41-34)20-32-35(39)30-18-24-7-2-3-8-25(24)19-31(30)36(32)40;1-36-29(20-35)32-26-10-4-5-11-27(26)33(38)28(32)19-24-17-18-31(39-24)37(23-15-13-22(34)14-16-23)30-12-6-8-21-7-2-3-9-25(21)30/h1-23H;2*2-20H,1H3;2-19H/b;;;28-19-,32-29-
• InChIKey: JLVMXJJKHQHHSS-RXVXQEDASA-N
• XLogP: 33.91
• TPSA: 208.18 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2378.59
LogP ≤ 5	33.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(N-anthracen-9-ylanilino)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-2-[(2Z)-2-[[5-(4-chloro-N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;3-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile;4-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile?

The IUPAC name of 2-[[5-(N-anthracen-9-ylanilino)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-2-[(2Z)-2-[[5-(4-chloro-N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;3-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile;4-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile (CID 158954531) is 2-[[5-(N-anthracen-9-ylanilino)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-2-[(2Z)-2-[[5-(4-chloro-N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;3-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile;4-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile.

What is the SMILES notation for 2-[[5-(N-anthracen-9-ylanilino)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-2-[(2Z)-2-[[5-(4-chloro-N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;3-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile;4-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile?

The canonical SMILES for 2-[[5-(N-anthracen-9-ylanilino)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-2-[(2Z)-2-[[5-(4-chloro-N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;3-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile;4-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile is Cc1cccc2c(N(c3ccc(C#N)cc3)c3ccc(C=C4C(=O)c5cc6ccccc6cc5C4=O)[se]3)cccc12.Cc1cccc2c(N(c3cccc(C#N)c3)c3ccc(C=C4C(=O)c5cc6ccccc6cc5C4=O)[se]3)cccc12.O=C1C(=Cc2ccc(N(c3ccccc3)c3c4ccccc4cc4ccccc34)[se]2)C(=O)c2cc3ccccc3cc21.[C-]#[N+]/C(C#N)=C1C(=C\c2ccc(N(c3ccc(Cl)cc3)c3cccc4ccccc34)[se]2)\C(=O)c2ccccc2\1.

What is the InChIKey of 2-[[5-(N-anthracen-9-ylanilino)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-2-[(2Z)-2-[[5-(4-chloro-N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;3-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile;4-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile?

The InChIKey is JLVMXJJKHQHHSS-RXVXQEDASA-N. The full InChI is InChI=1S/C38H23NO2Se.2C36H22N2O2Se.C33H18ClN3OSe/c40-37-32-21-24-10-4-5-11-25(24)22-33(32)38(41)34(37)23-29-18-19-35(42-29)39(28-14-2-1-3-15-28)36-30-16-8-6-12-26(30)20-27-13-7-9-17-31(27)36;1-22-7-4-13-29-28(22)12-6-14-33(29)38(26-11-5-8-23(17-26)21-37)34-16-15-27(41-34)20-32-35(39)30-18-24-9-2-3-10-25(24)19-31(30)36(32)40;1-22-6-4-10-29-28(22)9-5-11-33(29)38(26-14-12-23(21-37)13-15-26)34-17-16-27(41-34)20-32-35(39)30-18-24-7-2-3-8-25(24)19-31(30)36(32)40;1-36-29(20-35)32-26-10-4-5-11-27(26)33(38)28(32)19-24-17-18-31(39-24)37(23-15-13-22(34)14-16-23)30-12-6-8-21-7-2-3-9-25(21)30/h1-23H;2*2-20H,1H3;2-19H/b;;;28-19-,32-29-.

What are the key properties of 2-[[5-(N-anthracen-9-ylanilino)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-2-[(2Z)-2-[[5-(4-chloro-N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;3-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile;4-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile?

2-[[5-(N-anthracen-9-ylanilino)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-2-[(2Z)-2-[[5-(4-chloro-N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;3-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile;4-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile has a molecular weight of 2378.59 g/mol, XLogP of 33.91, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(N-anthracen-9-ylanilino)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-2-[(2Z)-2-[[5-(4-chloro-N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;3-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile;4-[[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]selenophen-2-yl]-(5-methylnaphthalen-1-yl)amino]benzonitrile is sourced from PubChem (CID 158954531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).